[1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum

C38H33N5OPt-2 — CID 165167759

About [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum

[1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum (PubChem CID 165167759) has the molecular formula C38H33N5OPt-2 and a molecular weight of 770.79 g/mol. Its IUPAC name is [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum
• PubChem CID: 165167759
• Molecular Formula: C38H33N5OPt-2
• Molecular Weight: 770.79 g/mol
• Exact Mass: 770.23
• IUPAC Name: [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum
• SMILES: Cc1c(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3ccc(-c4ccncc4)cn3)ccc2)c(=[Pt])n1C
• InChI: InChI=1S/C38H33N5O.Pt/c1-25-26(2)42(24-41(25)6)30-8-7-9-31(21-30)44-32-12-13-33-34-20-29(38(3,4)5)11-14-35(34)43(36(33)22-32)37-15-10-28(23-40-37)27-16-18-39-19-17-27;/h7-20,23H,1-6H3;/q-2
• InChIKey: CDZPUEQBNTYTJI-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.79
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum (CID 165167759) is [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum is Cc1c(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3ccc(-c4ccncc4)cn3)ccc2)c(=[Pt])n1C.

What is the InChIKey of [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum?

The InChIKey is CDZPUEQBNTYTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5O.Pt/c1-25-26(2)42(24-41(25)6)30-8-7-9-31(21-30)44-32-12-13-33-34-20-29(38(3,4)5)11-14-35(34)43(36(33)22-32)37-15-10-28(23-40-37)27-16-18-39-19-17-27;/h7-20,23H,1-6H3;/q-2;.

What are the key properties of [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum?

[1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum has a molecular weight of 770.79 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[6-tert-butyl-9-(5-pyridin-4-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3,4,5-trimethylimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).